User Macros

The links in the table are to different macros that users have contributed (most are taken from the collection at http://www.dur.ac.uk/john.evans/topas_academic/macros.inc). Please feel free to add your own macros. Follow the format of one of the pages already created (or look at formatting_macros). Please add enough documentation that others can follow it! Try and keep the table roughly alphabetical. More detailed instructions are available on how to add a macro.

The page all_macros contains many macros in a single file


Title Description Contributed by
Abs_Lobanov Absorption correction for TOF neutrons Pamela Whitfield
adp_no_limits Remove positive definite limits on adps Alan Coelho
Alternative Goodness of Fit Alternative Goodness of Fit Matthew Rowles
Anisotropic_hkl Anisotropic broadening correction based on the Alan Coelho reply in the Riet List on 31 Oct 2008 Carlos Paiva-Santos and Selma G Antonio
Anisotropic_broadening Anisotropic broadening correction based on an antiphase boundaries description by Her, Stephens et al Emma McCabe and John S. O. Evans
Anisotropic_crystallite_size Anisotropic broadening correction for triaxial-ellipsoids/elliptic-cylinders/cuboids Dominique Ectors
Bkg_GSAS_f2 Cosine fourier series background function (GSAS#2) Pamela Whitfield
Bkg_GSAS_f5 GSAS background function #5 (low Q air-scatter) Pamela Whitfield
Bkg_GSAS_f6 GSAS background function #6 (low Q air-scatter and high Q diffuse scattering) Pamela Whitfield
Out_GSAS_f2 Output coefficients for cosine fourier series (GSAS#2) Pamela Whitfield
Out_GSAS_f5 Output coefficients for GSAS background #5 Pamela Whitfield
Out_GSAS_f6 Output coefficients for GSAS background function #6 Pamela Whitfield
capillary absorption Sabine capillary absorption John Evans
DAC_Abs_Correction Diamond anvil cell absorption correction Martin Fisch
Damp GSAS-style damping factors Phil Chater
Debye-Scherrer_Specimen_Displacement Capillary displacement correction (Debye-Scherrer) Matthew Rowles
DS_Capillary_SD Capillary displacement correction (Debye-Scherrer) Pamela Whitfield
EoS_Macro Determine equation of state parameters Martin Etter and Robert E. Dinnebier
Fixed_Incident_Beam A collections of corrections for use with flat-plate samples with a fixed angle incident beam Matthew Rowles
Flat-plate transmission Macros to deal with intensity, absorption, and specimen displacement Matthew Rowles
FCF_Vesta Shelx LIST 3 like FCF file for Vesta Martin Fisch
gem_instrumental_peakshape Gem tof peak shape Bill David
Get_Distance Get_Angle Get the distance between two sites and report it in the .inp file John Evans
H_ride Ride H atoms in organic structures Alan Coelho
Inel_Flat_Plate_V1 Fixed sample angle I & disp. correct'n V1 Ian Madsen
Inel_Flat_Plate_V2 Fixed sample angle I & disp. correct'n V2 Ian Madsen
Insert_Peak Add a peak to a Rietveld fit John Evans
K-Factor K-Factor Quantification Martin Fisch
Linear interpolation GSAS-style linear interpolation background functions Phil Chater
Out_CIF_crystalmaker Output cif with adps for crystalmaker John Evans
Out_CIF_ADPs_diamond Cif with adps that diamond will read directly Pamela Whitfield
Out_CIF_diamond Cif with Bisos that diamond will read directly Pamela Whitfield
Out_CIF_mag Output magnetic CIF John Evans and Emma McCabe
Out_Out_General_CIF_test More general cif output Alex McClennan
Out_Dif Generate dif file in uxd format for Bruker eva software John Evans
Out_Gnuplot_ Produce hkl labels and plots to use in gnuplot John Evans
Out_min_max Output coordinates in controlable formats John Evans
Out_PowderCIFDataBlock Output fit data in IUCr-friendly CIF Pamela Whitfield
Out_with_suffix Versatile output for multipattern files Martin Fisch
Out_xtl Simple xtl format for various packages John Evans
PDF macros A collection of macros for use with PDF data in TOPASv6 Phil Chater
peak_shapes Various peak shapes for various means Matthew Rowles
Preferred_Orientation Generalised March-Dollase PO corrections Matthew Rowles
Refine_Weight_Percentage Set or refine weight percentages directly Matthew Rowles
Robust_refinement_xye Robust Refinement Peter Stephens
Stephens peakshape Anisotropic peak broadening Peter Stephens
Texture_Index Texture index from spherical harmonics coefficients - Version 5 Pamela Whitfield
TOF_Powder_extinction Extinction correction for TOF neutrons Pamela Whitfield
tof_sample_peakshape Sample contribution to tof peak shape John Evans
Variable_Divergence_lpsd Variable divergence correction with lpsd convolution Matthew Rowles
wifd_mic , wifd_mic_new tof peak shape GEM Bill David
wifd_pkshape tof peak shape HRPD Bill David
write_atoms Write out coordinates for Atoms John Evans
write_atoms_adp Write atoms for .inp with adps for Atoms John Evans
new macro Copy/paste this line, place in alphabetical order Your Name

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